5-methyl-N3-[(E)-(3-phenoxyphenyl)methylideneamino]-1,2,4-triazole-3,4-diamine

Systemtic Name: 5-methyl-N3-[(E)-(3-phenoxyphenyl)methylideneamino]-1,2,4-triazole-3,4-diamine Openeye Name: 5-methyl-N3-[(E)-(3-phenoxyphenyl)methyleneamino]-1,2,4-triazole-3,4-diamine CAS Name: 5-methyl-N3-[(E)-(3-phenoxyphenyl)methylideneamino]-1,2,4-triazole-3,4-diamine IUPAC Name: 5-methyl-3-N-[(E)-(3-phenoxyphenyl)methylideneamino]-1,2,4-triazole-3,4-diamine Traditional Name: (4-amino-5-methyl-1,2,4-triazol-3-yl)-[(E)-(3-phenoxybenzylidene)amino]amine Formula: C16H16N6O MolecularWeight: 308.33784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)NN=CC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1N)N/N=C/C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C16H16N6O/c1-12-19-21-16(22(12)17)20-18-11-13-6-5-9-15(10-13)23-14-7-3-2-4-8-14/h2-11H,17H2,1H3,(H,20,21)/b18-11+